Geometry & MOs

Info

ID:	434735
PubChem CID:	135175597
Reduced:	BrSF2N3O4C33H38 (1)
Stoich.:	ABC2D3E4F33G38 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-223.47
Dipole, Da:	9.01
IP(EA), eV:	-9.29(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(cyclohexylmethoxy)phenyl]-2-oxoacetate

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)NC(C(=O)N3C4CCC3CC(C4)N)C(C5=CC6=C(C=C5)C=C(C=C6)Br)(F)F

DOS

IR

Vibrations